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methyl (2-chloroethyl)nitrosocarbamate
chemical compound
KB-16
TL-186
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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chemical structure
Methyl (2-chloroethyl)nitrosocarbamate.svg
410 × 275; 9 KB
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mass
166.014519764
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₄H₇ClN₂O₃
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canonical SMILES
COC(=O)N(CCCl)N=O
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Identifiers
InChI
InChI=1S/C4H7ClN2O3/c1-10-4(8)7(6-9)3-2-5/h2-3H2,1H3
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InChIKey
ZIVWROYTZSSKDC-UHFFFAOYSA-N
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CAS Registry Number
13589-15-6
1 reference
InChIKey
ZIVWROYTZSSKDC-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=13589-15-6
PubChem CID
26121
1 reference
matched by identifier from
InChIKey
InChIKey
ZIVWROYTZSSKDC-UHFFFAOYSA-N
UniChem compound ID
51321360
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60159588
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
ZIVWROYTZSSKDC-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID5082079
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NSC number
315840
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UNII
G43VQ2XGG3
1 reference
matched by identifier from
InChIKey
InChIKey
ZIVWROYTZSSKDC-UHFFFAOYSA-N
Google Knowledge Graph ID
/g/11h1dbvzsd
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KB-16
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